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Magneson I AR

CAT: 1507-01608 00025Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1507-01608 00025Size:25 mg
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CAS Number
74-39-5

Chemical Information

Magneson

4-(4-nitrophenylazo)resorcinol is an azobenzene in which the phenyl rings are 4-nitro- and 2,4-dihydroxy-substituted respectively. It is a member of azobenzenes, a member of resorcinols and a C-nitro compound.

CAS Number74-39-5
PubChem CID6320
IUPAC Name4-[(4-nitrophenyl)diazenyl]benzene-1,3-diol
Molecular FormulaC12H9N3O4
Molecular Weight259.22
XLogP2.8
Topological Polar Surface Area111
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count19
Formal Charge0
Complexity336
SMILES
C1=CC(=CC=C1N=NC2=C(C=C(C=C2)O)O)[N+](=O)[O-]
InChI
InChI=1S/C12H9N3O4/c16-10-5-6-11(12(17)7-10)14-13-8-1-3-9(4-2-8)15(18)19/h1-7,16-17H
InChIKey
NGPGYVQZGRJHFJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Magneson
CAS: 74-39-5
CID: 6320
Formula: C12H9N3O4
MW: 259.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight259.22
XLogP32.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass259.05930578
Monoisotopic Mass259.05930578
Topological Polar Surface Area111 Ų
Heavy Atom Count19
Formal Charge0
Complexity336
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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